(5-cyano-1-benzofuran-2-yl)methyl-triphenyl-phosphanium chloride

Systemtic Name: (5-cyano-1-benzofuran-2-yl)methyl-triphenyl-phosphanium chloride Openeye Name: (5-cyanobenzofuran-2-yl)methyl-triphenyl-phosphonium chloride CAS Name: (5-cyano-2-benzofuranyl)methyl-triphenylphosphonium chloride IUPAC Name: (5-cyano-1-benzofuran-2-yl)methyl-triphenylphosphanium chloride Traditional Name: (5-cyanobenzofuran-2-yl)methyl-triphenyl-phosphonium chloride Formula: C28H21ClNOP MolecularWeight: 453.899201

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CC2=CC3=C(O2)C=CC(=C3)C#N)(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CC2=CC3=C(O2)C=CC(=C3)C#N)(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C28H21NOP.ClH/c29-20-22-16-17-28-23(18-22)19-24(30-28)21-31(25-10-4-1-5-11-25,26-12-6-2-7-13-26)27-14-8-3-9-15-27;/h1-19H,21H2;1H/q+1;/p-1